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{
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{
"id": "mp-555315",
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"structure_string": "Zr6 Cd6 Ag2 F40\n1.0\n5.378519 -9.315867 0.000000\n5.378519 9.315867 0.000000\n0.000000 0.000000 8.520951\nZr Cd Ag F\n6 6 2 40\ndirect\n0.584627 0.722462 0.250000 Zr\n0.862165 0.584627 0.750000 Zr\n0.415373 0.277538 0.750000 Zr\n0.137835 0.415373 0.250000 Zr\n0.277538 0.862165 0.250000 Zr\n0.722462 0.137835 0.750000 Zr\n0.162678 0.433915 0.750000 Cd\n0.566085 0.728763 0.750000 Cd\n0.837322 0.566085 0.250000 Cd\n0.728763 0.162678 0.250000 Cd\n0.271237 0.837322 0.750000 Cd\n0.433915 0.271237 0.250000 Cd\n0.000000 0.000000 0.250000 Ag\n0.000000 0.000000 0.750000 Ag\n0.366530 0.550135 0.250000 F\n0.720189 0.145417 0.987761 F\n0.765000 0.965007 0.750000 F\n0.775364 0.719434 0.750000 F\n0.000000 0.000000 0.000000 F\n0.200006 0.235000 0.750000 F\n0.034993 0.799994 0.750000 F\n0.055930 0.775364 0.250000 F\n0.279811 0.854583 0.487761 F\n0.145417 0.425228 0.487761 F\n0.633470 0.449865 0.750000 F\n0.940698 0.413138 0.250000 F\n0.799994 0.765000 0.250000 F\n0.854583 0.574772 0.987761 F\n0.574772 0.720189 0.012239 F\n0.235000 0.034993 0.250000 F\n0.719434 0.944070 0.250000 F\n0.816395 0.366530 0.750000 F\n0.224636 0.280566 0.250000 F\n0.472440 0.059302 0.250000 F\n0.279811 0.854583 0.012239 F\n0.527560 0.940698 0.750000 F\n0.425228 0.279811 0.987761 F\n0.413138 0.472440 0.750000 F\n0.145417 0.425228 0.012239 F\n0.720189 0.145417 0.512239 F\n0.280566 0.055930 0.750000 F\n0.854583 0.574772 0.512239 F\n0.059302 0.586862 0.750000 F\n0.449865 0.816395 0.250000 F\n0.000000 0.000000 0.500000 F\n0.586862 0.527560 0.250000 F\n0.550135 0.183605 0.750000 F\n0.944070 0.224636 0.750000 F\n0.425228 0.279811 0.512239 F\n0.666667 0.333333 0.250000 F\n0.965007 0.200006 0.250000 F\n0.574772 0.720189 0.487761 F\n0.183605 0.633470 0.250000 F\n0.333333 0.666667 0.750000 F\n",
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{
"id": "mp-754093",
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"structure_string": "Gd4 Cd2 O8\n1.0\n0.000000 4.871241 4.871241\n4.871241 0.000000 4.871241\n4.871241 4.871241 0.000000\nGd Cd O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Gd\n0.625000 0.625000 0.625000 Gd\n0.625000 0.125000 0.625000 Gd\n0.125000 0.625000 0.625000 Gd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.839949 0.386684 0.386684 O\n0.386684 0.839949 0.386684 O\n0.863316 0.863316 0.410051 O\n0.863316 0.410051 0.863316 O\n0.410051 0.863316 0.863316 O\n0.863316 0.863316 0.863316 O\n0.386684 0.386684 0.386684 O\n0.386684 0.386684 0.839949 O\n",
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{
"id": "mp-1238843",
"created_at": "2022-09-04T14:40:57.250300Z",
"structure_string": "Na4 Cr8 S16\n1.0\n3.530803 0.000000 0.000000\n0.000000 10.962287 0.000000\n0.000000 0.000000 12.764312\nNa Cr S\n4 8 16\ndirect\n0.250000 0.239286 0.334571 Na\n0.750000 0.760714 0.665429 Na\n0.750000 0.260714 0.834571 Na\n0.250000 0.739286 0.165429 Na\n0.250000 0.058866 0.113055 Cr\n0.750000 0.941134 0.886945 Cr\n0.750000 0.441134 0.613055 Cr\n0.250000 0.558866 0.386945 Cr\n0.250000 0.083128 0.602453 Cr\n0.750000 0.916872 0.397547 Cr\n0.750000 0.416872 0.102453 Cr\n0.250000 0.583128 0.897547 Cr\n0.750000 0.027883 0.714896 S\n0.250000 0.972117 0.285104 S\n0.250000 0.472117 0.214896 S\n0.750000 0.527883 0.785104 S\n0.250000 0.080989 0.929284 S\n0.750000 0.919011 0.070716 S\n0.750000 0.419011 0.429284 S\n0.250000 0.580989 0.570716 S\n0.750000 0.115107 0.479904 S\n0.250000 0.884893 0.520096 S\n0.250000 0.384893 0.979904 S\n0.750000 0.615107 0.020096 S\n0.750000 0.201395 0.147180 S\n0.250000 0.798605 0.852820 S\n0.250000 0.298605 0.647180 S\n0.750000 0.701395 0.352820 S\n",
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{
"id": "mp-1201718",
"created_at": "2022-09-04T14:40:57.446519Z",
"structure_string": "K8 Mo10 H8 Se4 O46\n1.0\n0.000000 -10.286066 0.000000\n-9.478837 5.143033 2.787765\n-0.048789 0.000000 -12.185918\nK Mo H Se O\n8 10 8 4 46\ndirect\n0.986600 0.648802 0.227502 K\n0.337798 0.351198 0.772498 K\n0.337148 0.981801 0.753109 K\n0.355347 0.018199 0.246891 K\n0.745174 0.358718 0.907452 K\n0.386456 0.641282 0.092548 K\n0.922245 0.628805 0.591526 K\n0.293440 0.371195 0.408474 K\n0.690631 0.000000 0.000000 Mo\n0.739041 0.706473 0.896896 Mo\n0.032568 0.293527 0.103104 Mo\n0.101414 0.802328 0.961141 Mo\n0.299085 0.197672 0.038859 Mo\n0.642336 0.710783 0.380769 Mo\n0.931553 0.289217 0.619231 Mo\n0.369531 0.801936 0.445673 Mo\n0.567594 0.198064 0.554327 Mo\n0.981162 0.000000 0.500000 Mo\n0.956802 0.426461 0.366422 H\n0.530341 0.573539 0.633578 H\n0.792315 0.392528 0.361022 H\n0.399787 0.607472 0.638978 H\n0.715636 0.333566 0.156939 H\n0.382070 0.666434 0.843061 H\n0.633135 0.421933 0.166090 H\n0.211202 0.578067 0.833910 H\n0.980739 0.019260 0.830152 Se\n0.961479 0.980740 0.169848 Se\n0.679722 0.960601 0.663851 Se\n0.719120 0.039399 0.336149 Se\n0.892812 0.470333 0.371747 O\n0.422479 0.529667 0.628253 O\n0.167108 0.117388 0.855810 O\n0.049720 0.882612 0.144190 O\n0.721582 0.417716 0.141267 O\n0.303866 0.582284 0.858733 O\n0.918499 0.113255 0.933720 O\n0.805244 0.886745 0.066280 O\n0.958803 0.879912 0.885218 O\n0.078892 0.120088 0.114782 O\n0.494198 0.860573 0.627984 O\n0.633625 0.139427 0.372016 O\n0.749694 0.880583 0.556238 O\n0.869111 0.119417 0.443762 O\n0.710056 0.113349 0.626168 O\n0.596707 0.886651 0.373832 O\n0.891688 0.667427 0.951598 O\n0.224262 0.332573 0.048402 O\n0.663777 0.836233 0.877546 O\n0.827544 0.163767 0.122454 O\n0.181055 0.737487 0.041163 O\n0.443568 0.262513 0.958837 O\n0.590161 0.589762 0.950794 O\n0.000400 0.410238 0.049206 O\n0.849383 0.845040 0.368792 O\n0.004344 0.154960 0.631208 O\n0.668746 0.595474 0.440573 O\n0.073272 0.404526 0.559427 O\n0.138014 0.747379 0.821955 O\n0.390635 0.252621 0.178045 O\n0.442296 0.665596 0.423262 O\n0.776700 0.334404 0.576738 O\n0.423472 0.000000 0.500000 O\n0.287527 0.767446 0.306147 O\n0.520081 0.232554 0.693853 O\n0.043114 0.915195 0.573448 O\n0.127920 0.084805 0.426552 O\n0.548975 0.926492 0.081200 O\n0.622483 0.073508 0.918800 O\n0.713392 0.620384 0.751267 O\n0.093008 0.379616 0.248733 O\n0.592690 0.624580 0.234840 O\n0.968110 0.375420 0.765160 O\n0.216864 0.727378 0.515455 O\n0.489486 0.272622 0.484545 O\n0.250255 0.000000 0.000000 O\n",
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"formula_full": "K8 Mo10 H8 Se4 O46",
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{
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{
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{
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"structure_string": "Cs12 Bi4 Se12\n1.0\n10.848795 0.000000 0.000000\n0.000000 10.848795 0.000000\n0.000000 0.000000 10.848795\nCs Bi Se\n12 4 12\ndirect\n0.180351 0.680351 0.819649 Cs\n0.311537 0.688463 0.188463 Cs\n0.930082 0.430082 0.069918 Cs\n0.811537 0.811537 0.811537 Cs\n0.430082 0.069918 0.930082 Cs\n0.680351 0.819649 0.180351 Cs\n0.569918 0.569918 0.569918 Cs\n0.819649 0.180351 0.680351 Cs\n0.688463 0.188463 0.311537 Cs\n0.069918 0.930082 0.430082 Cs\n0.188463 0.311537 0.688463 Cs\n0.319649 0.319649 0.319649 Cs\n0.528208 0.471792 0.971792 Bi\n0.028208 0.028208 0.028208 Bi\n0.971792 0.528208 0.471792 Bi\n0.471792 0.971792 0.528208 Bi\n0.292810 0.395426 0.995537 Se\n0.792810 0.104574 0.004463 Se\n0.707190 0.895426 0.504463 Se\n0.995537 0.292810 0.395426 Se\n0.895426 0.504463 0.707190 Se\n0.104574 0.004463 0.792810 Se\n0.207190 0.604574 0.495537 Se\n0.395426 0.995537 0.292810 Se\n0.604574 0.495537 0.207190 Se\n0.504463 0.707190 0.895426 Se\n0.004463 0.792810 0.104574 Se\n0.495537 0.207190 0.604574 Se\n",
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